Glycoside
GD091866
Name:
NoneFormula:
C20H23O7N3SSmiles:
Cc1cc2c(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)ccnc2n1S(=O)(=O)c1ccccc1Aglycone:
Cc1cc2c(N)ccnc2n1S(=O)(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 449.49 | Num_heavy_atoms: | 31 |
| TPSA: | 154.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD40063
Formula: C14H13O2N3S
Smiles:
Cc1cc2c(N)ccnc2n1S(=O)(=O)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 287.34 | Num_heavy_atoms: | 20 |
| TPSA: | 77.98 | NumAromaticRings: | 3 |
